General Information of the Compound
| Compound ID |
CP0487034
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| Compound Name |
[(1S,3R)-3-[(5-bromo-6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C30H36BrF3N2O2
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| Molecular Weight |
593.528
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| Canonical SMILES |
COc1cc2C(CC(C)c2cc1Br)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C30H36BrF3N2O2/c1-17(2)29(28(37)36-10-8-19-5-6-21(30(32,33)34)12-20(19)16-36)9-7-22(15-29)35-26-11-18(3)23-13-25(31)27(38-4)14-24(23)26/h5-6,12-14,17-18,22,26,35H,7-11,15-16H2,1-4H3/t18?,22-,26?,29+/m1/s1
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| InChIKey |
UXFGCCXECAOESJ-PHZQMMEXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound